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Title: Materials Data on Li2(TmGe)3 by Materials Project

Abstract

Li2(TmGe)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to four equivalent Tm and four Ge atoms to form a mixture of distorted face, edge, and corner-sharing LiTm4Ge4 tetrahedra. There are a spread of Li–Tm bond distances ranging from 3.12–3.25 Å. There are a spread of Li–Ge bond distances ranging from 2.52–2.67 Å. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 10-coordinate geometry to four equivalent Li and six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 3.00–3.09 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.91–3.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, five Tm, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and seven Tm atoms.

Authors:
Publication Date:
Other Number(s):
mp-1188157
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2(TmGe)3; Ge-Li-Tm
OSTI Identifier:
1672896
DOI:
https://doi.org/10.17188/1672896

Citation Formats

The Materials Project. Materials Data on Li2(TmGe)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672896.
The Materials Project. Materials Data on Li2(TmGe)3 by Materials Project. United States. doi:https://doi.org/10.17188/1672896
The Materials Project. 2019. "Materials Data on Li2(TmGe)3 by Materials Project". United States. doi:https://doi.org/10.17188/1672896. https://www.osti.gov/servlets/purl/1672896. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1672896,
title = {Materials Data on Li2(TmGe)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2(TmGe)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to four equivalent Tm and four Ge atoms to form a mixture of distorted face, edge, and corner-sharing LiTm4Ge4 tetrahedra. There are a spread of Li–Tm bond distances ranging from 3.12–3.25 Å. There are a spread of Li–Ge bond distances ranging from 2.52–2.67 Å. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 10-coordinate geometry to four equivalent Li and six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 3.00–3.09 Å. In the second Tm site, Tm is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.91–3.32 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, five Tm, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and seven Tm atoms.},
doi = {10.17188/1672896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}